In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 25th, 2011 | 16 | Yes |
Popular Name: 1-[1-[(5-chlorothiadiazol-4-yl)methyl]-4-piperidyl]-N-methyl-methanamine 1-[1-[(5-chlorothiadiazol-4-yl)m…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.93 | 5.12 | -96.54 | 3 | 4 | 2 | 47 | 262.81 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.93 | 2.87 | -41.11 | 2 | 4 | 1 | 46 | 261.802 | 4 | ↓ |